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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM507706
Substrate
n/a
Meas. Tech.
IRAK4 Biochemical Assay
IC50
<1.000±n/a nM
Citation
 Ammann, S; Bacon, EM; Brizgys, G; Chin, E; Chou, C; Cottell, JJ; Ndukwe, M; Shatskikh, M; Taylor, JG; Wright, NE; Yang, Z; Zipfel, SM Thiadiazole IRAK4 compounds US Patent  US11046686 Publication Date 6/29/2021 
Target
Name:
Interleukin-1 receptor-associated kinase 4
Synonyms:
IRAK-4 | IRAK4 | IRAK4_HUMAN | Interleukin-1 receptor-associated kinase 4 (IRAK-4) | Interleukin-1 receptor-associated kinase 4 (IRAK4) | Renal carcinoma antigen NY-REN-64
Type:
Protein
Mol. Mass.:
51519.08
Organism:
Homo sapiens (Human)
Description:
Q9NWZ3
Residue:
460
Sequence:
MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALLQTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITVQQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
  
Inhibitor
Name:
BDBM507706
Synonyms:
US11046686, Example 23 | methyl (((1R,3r)-3-((5- (5-((1r,4R)-4- acetamidocyclohexyl)- 1,3,4-thiadiazol-2-yl)- 2-(3-cyanopyrrolo[1,2- b]pyridazin-7- yl)pyridin-4- yl)amino)cyclobutyl) methyl)carbamate
Type:
Small organic molecule
Emp. Form.:
C30H33N9O3S
Mol. Mass.:
599.707
SMILES:
COC(=O)NC[C@H]1CC(C1)Nc1cc(ncc1-c1nnc(s1)[C@H]1CCC(CC1)NC(C)=O)-c1ccc2cc(cnn12)C#N |r,wU:22.24,6.5,(11.58,3.86,;10.25,3.09,;8.92,3.86,;8.92,5.4,;7.58,3.09,;6.25,3.86,;4.92,3.09,;4.52,1.6,;3.03,2,;3.43,3.49,;1.7,1.23,;1.7,-.31,;3.03,-1.08,;3.03,-2.62,;1.7,-3.39,;.36,-2.62,;.36,-1.08,;-.97,-.31,;-.97,1.23,;-2.44,1.71,;-3.34,.46,;-2.44,-.78,;-4.83,.06,;-5.23,-1.42,;-6.71,-1.82,;-7.8,-.73,;-7.4,.76,;-5.92,1.15,;-9.29,-1.13,;-10.38,-.04,;-11.87,-.44,;-9.98,1.45,;4.36,-3.39,;4.36,-4.93,;5.83,-5.4,;6.73,-4.16,;8.27,-4,;8.89,-2.59,;7.99,-1.34,;6.46,-1.5,;5.83,-2.91,;10.38,-2.19,;11.87,-1.79,)|
Structure:
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